SCHEMBL5166345

SCHEMBL5166345

CC(=O)c1cc(Cl)c(N)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 1/20 0.44
ADRB2 P07550 8/20 0.43
ADRB1 P08588 1/20 0.43
KIF11 P52732 1/20 0.41
KDR P35968 1/20 0.39
HSD11B1 P28845 3/20 0.36
DHODH Q02127 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HDAC3 O15379 1/20 0.36
RAF1 P04049 1/20 0.36
ARAF P10398 1/20 0.36
BRAF P15056 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31749059 1.00 NPFFR2 (0.44) NPFFR2ADRB2ADRB1KIF11KDR
SCHEMBL3306839 0.84 TTR (0.47) ADRB2ADRB1KDRHSD11B1PDK1
SCHEMBL5165740 0.84 ADRB2 (0.41) NPFFR2ADRB2ADRB1KDRHSD11B1
SCHEMBL12433188 0.83 ADRB2 (0.45) NPFFR2ADRB2ADRB1KDRHSD11B1
SCHEMBL28644289 0.83 ADRB2 (0.40) NPFFR2ADRB2ADRB1KDRHSD11B1
Hydrochloric Acid SCHEMBL7280694 0.83 TTR (0.46) ADRB2ADRB1KDRHSD11B1PDK1
SCHEMBL15358059 0.82 NOTUM (0.49) ADRB2ADRB1KDRPDK1
SCHEMBL2866567 0.81 HSD11B1 (0.48) HSD11B1
SCHEMBL13125475 0.81 NPFFR2 (0.42) NPFFR2KIF11KDRDHODHHTR2A
SCHEMBL20702553 0.81 KIF11 (0.49) NPFFR2KIF11HTR2AHTR2CHDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190119196-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2019-04-25 US disclosed
WO-2019053428-A1 BETA-HYDROXYETHYLAMINES FOR USE IN THE TREATMENT OR PREVENTION OF NON-ALCOHOLIC FATTY LIVER DISEASES ATROGI AB (SE) 2019-03-21 WO disclosed
EP-3426239-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA Atrogi AB (SE) 2019-01-16 EP disclosed
WO-2017153737-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA ATROGI AB (SE) 2017-09-14 WO disclosed
US-9365612-B2 Caspase inhibitors UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-06-14 US disclosed
EP-1439164-B1 NOVEL PHENYLETHANOLAMINE COMPOUNDS HAVING BETA2-ACCEPTOR EXCITATORY FUNCTION AND THEIR PREPARATION METHOD UNIV SHENYANG PHARMACEUTICAL (CN) 2007-04-11 EP disclosed
US-7098364-B2 Phenylethanolamine compounds as β2-receptor agonists, and methods of use and preparation thereof SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2006-08-29 US disclosed
US-20040266867-A1 Novel phenylethanolamine compounds having &bgr;<sb>2</sb>acceptor excitatory function and their preparation method JINZHOU JIUTAI PHARMACEUTICAL CO., LTD. CHINA (CN) 2004-12-30 US disclosed
EP-1439164-A1 NOVEL PHENYLETHANOLAMINE COMPOUNDS HAVING BETA2-ACCEPTOR EXCITATORY FUNCTION AND THEIR PREPARATION METHOD Shenyang Pharmaceutical University (CN) 2004-07-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190119196-A1 COMPOUNDS FOR THE TREATMENT OF HYPERGLYCAEMIA SLC5A2, SLC5A1, SLC2A2 NPFFR2 782/4885ADRB2 229/4885ADRB1 387/4885
US-20040266867-A1 Novel phenylethanolamine compounds having &bgr;<sb>2</sb>acceptor excitatory function and their preparation method ADRB2, ADRB3, CHRM3 NPFFR2 170/4885ADRB2 1/4885ADRB1 4/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.